Vibrational Frequencies calculated at CID/6-31G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
3536 |
3266 |
0.00 |
|
|
|
| 2 |
Ag |
2289 |
2115 |
0.00 |
|
|
|
| 3 |
Ag |
1247 |
1152 |
0.00 |
|
|
|
| 4 |
Ag |
977 |
903 |
0.00 |
|
|
|
| 5 |
Ag |
329 |
304 |
0.00 |
|
|
|
| 6 |
Au |
1009 |
932 |
157.49 |
|
|
|
| 7 |
Au |
259 |
240 |
0.34 |
|
|
|
| 8 |
Bg |
701 |
647 |
0.00 |
|
|
|
| 9 |
Bu |
3536 |
3266 |
8.47 |
|
|
|
| 10 |
Bu |
1839 |
1698 |
185.29 |
|
|
|
| 11 |
Bu |
1215 |
1122 |
414.44 |
|
|
|
| 12 |
Bu |
296 |
273 |
7.09 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8616.3 cm
-1
Scaled (by 0.9237) Zero Point Vibrational Energy (zpe) 7958.9 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.